Task 38666796

Name	test_998-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1885_1
Workunit	31609186
Created	25 Oct 2026, 4:48:10 UTC
Sent	25 Oct 2026, 5:07:31 UTC
Report deadline	30 Oct 2026, 5:07:31 UTC
Received	25 Oct 2026, 7:10:59 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	592287
Run time	1 hours 50 min 1 sec
CPU time	1 hours 28 min 35 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	110,979.63 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	764.15 MB
Peak swap size	13.27 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 6599.20 (10000000000.00G/1515335.72G)</message> <stderr_txt> 22:11:49 (24172): wrapper (7.9.26016): starting 22:11:49 (24172): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A34_A12_0.pdb QB_A34_A12_0.xml QB_A34_A12_input.yaml QB_A34_A12.pdb QB_A34_A12.prmtop QB_A34_A12_sys.xml run.bat run.sh 22:11:50 (24172): Library/usr/bin/tar.exe exited; CPU time 0.000000 22:11:50 (24172): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH. Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location. WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH. Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {3835455} normal block at 0x00000175103CE770, 8 bytes long. Data: < } u > 00 00 7D 10 75 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000017512216630, 1080 bytes long. Data: < E P > 00 45 00 00 CD CD CD CD 50 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000175103CF230, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. 23:23:29 (32484): wrapper (7.9.26016): starting 23:23:29 (32484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {1800} normal block at 0x0000025363396F80, 8 bytes long. Data: < 1cS > 00 00 31 63 53 02 00 00 ..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000025363397F50, 1080 bytes long. Data: < B D > CC 42 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>